COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432775
Chemical Name: (4E)-1-(4-bromophenyl)-4-(4-hydroxy-3,5-dimethoxybenzylidene)pyrazolidine-3,5-dione
Smiles: COc1cc(/C=C/2\C(=O)NN(C2=O)c2ccc(cc2)Br)cc(c1O)OC

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Molecular Weight: 419.23
Empirical Formula: C18H15BrN2O5

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 2.819
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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